3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride

C9H13Cl2FN2 — CID 66847575

IUPAC3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride
SMILESCl.Cl.Fc1cncc([C@H]2CCCN2)c1
InChIInChI=1S/C9H11FN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H/t9-;;/m1../s1
InChIKeyZFFKBCBBODOTJG-KLQYNRQASA-N
MW239.12 g/mol
LogP2.49
Rot. Bonds1

About 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride

3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride (PubChem CID 66847575) has the molecular formula C9H13Cl2FN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride
PubChem CID66847575
Molecular FormulaC9H13Cl2FN2
Molecular Weight239.12 g/mol
Exact Mass238.04
IUPAC Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride
SMILESCl.Cl.Fc1cncc([C@H]2CCCN2)c1
InChIInChI=1S/C9H11FN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H/t9-;;/m1../s1
InChIKeyZFFKBCBBODOTJG-KLQYNRQASA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride?
The IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride (CID 66847575) is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride.
What is the SMILES notation for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride?
The canonical SMILES for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride is Cl.Cl.Fc1cncc([C@H]2CCCN2)c1.
What is the InChIKey of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride?
The InChIKey is ZFFKBCBBODOTJG-KLQYNRQASA-N. The full InChI is InChI=1S/C9H11FN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H/t9-;;/m1../s1.
What are the key properties of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride?
3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride has a molecular weight of 239.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]pyridine;dihydrochloride is sourced from PubChem (CID 66847575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).